N-CYANOACETYLURETHANE Property

Melting point:

167-169 °C (lit.)

Boiling point:

280.35°C (rough estimate)

Density 

1.197

refractive index 

1.5010 (estimate)

storage temp. 

2-8°C

solubility 

DMSO, Methanol

form 

Solid

pka

3.46±0.10(Predicted)

color 

Pale Yellow

InChI

InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)

InChIKey

HSOGVWWWGVFXGF-UHFFFAOYSA-N

SMILES

C(OCC)(=O)NC(CC#N)=O

Safety

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

RTECS 

EZ3480000

HazardClass 

IRRITANT

HS Code 

2926907090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

N-CYANOACETYLURETHANE Chemical Properties,Usage,Production

Chemical Properties

Pale Yellow Solid

Uses

N-Cyanoacetylurethane is used in the synthesis of inhibitors targetting the PDZ domain of PICK1, which is a potential target for brain ischemia, pain and addiction illnesses. Also it is used in the synthesis of cathespin K inhibitors.

Uses

N-Cyanoacetylurethane is used in the synthesis of inhibitors targetting the PDZ domain of PICK1, which is a potential target for brain ischemia, pain and addiction illnesses. Also it is used in the sy nthesis of cathespin K inhibitors.